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Sodium in PDB 5lz2: Fragment-Based Inhibitors of Lipoprotein Associated Phospholipase A2

Enzymatic activity of Fragment-Based Inhibitors of Lipoprotein Associated Phospholipase A2

All present enzymatic activity of Fragment-Based Inhibitors of Lipoprotein Associated Phospholipase A2:
3.1.1.47;

Protein crystallography data

The structure of Fragment-Based Inhibitors of Lipoprotein Associated Phospholipase A2, PDB code: 5lz2 was solved by A.Woolford, P.Day, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.42 / 2.10
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 99.971, 90.649, 51.321, 90.00, 111.82, 90.00
R / Rfree (%) 16.7 / 22.8

Other elements in 5lz2:

The structure of Fragment-Based Inhibitors of Lipoprotein Associated Phospholipase A2 also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Sodium Binding Sites:

The binding sites of Sodium atom in the Fragment-Based Inhibitors of Lipoprotein Associated Phospholipase A2 (pdb code 5lz2). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Fragment-Based Inhibitors of Lipoprotein Associated Phospholipase A2, PDB code: 5lz2:

Sodium binding site 1 out of 1 in 5lz2

Go back to Sodium Binding Sites List in 5lz2
Sodium binding site 1 out of 1 in the Fragment-Based Inhibitors of Lipoprotein Associated Phospholipase A2


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Fragment-Based Inhibitors of Lipoprotein Associated Phospholipase A2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na501

b:21.6
occ:0.50
O A:HOH896 2.2 17.8 0.5
O A:GLU285 2.4 20.9 1.0
O A:HOH714 2.5 21.0 1.0
C A:GLU285 3.5 20.2 1.0
O A:HOH811 4.1 20.2 1.0
CA A:ASP286 4.1 19.5 1.0
N A:ASP286 4.2 19.5 1.0
O A:HOH743 4.2 21.5 1.0
CB A:ASP286 4.3 18.1 1.0
CB A:GLU285 4.4 21.4 1.0
CA A:GLU285 4.5 20.8 1.0
CG A:ASP286 4.6 17.9 1.0
OE1 A:GLU285 4.6 25.0 1.0
OG A:SER230 4.7 18.0 1.0
CG A:GLU285 4.8 21.5 1.0
OD2 A:ASP286 4.9 16.5 1.0
OD1 A:ASP286 5.0 18.4 1.0

Reference:

A.J.Woolford, P.J.Day, V.Beneton, V.Berdini, J.E.Coyle, Y.Dudit, P.Grondin, P.Huet, L.Y.Lee, E.S.Manas, R.L.Mcmenamin, C.W.Murray, L.W.Page, V.K.Patel, F.Potvain, S.J.Rich, Y.Sang, D.O.Somers, L.Trottet, Z.Wan, X.Zhang. Fragment-Based Approach to the Development of An Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2). J. Med. Chem. V. 59 10738 2016.
ISSN: ISSN 1520-4804
PubMed: 27933945
DOI: 10.1021/ACS.JMEDCHEM.6B01427
Page generated: Mon Oct 7 22:26:42 2024

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